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三种3-氯-3-甲基-2,6-二芳基哌啶-4-酮的晶体结构

Crystal structures of three 3-chloro-3-methyl-2,6-di-aryl-piperidin-4-ones.

作者信息

Arulraj R, Sivakumar S, Kaur Manpreet, Thiruvalluvar A, Jasinski Jerry P

机构信息

Research and Development Centre, Bharathiar University, Coimbatore 641 046, Tamilnadu, India.

Research and Development Centre, Bharathiar University, Coimbatore 641 046, Tamilnadu, India; Department of Chemistry, Thiruvalluvar Arts and Science College, Kurinjipadi 607 302, Tamilnadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 6;73(Pt 2):107-111. doi: 10.1107/S2056989016020661. eCollection 2017 Feb 1.

DOI:10.1107/S2056989016020661
PMID:28217321
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5290544/
Abstract

The syntheses and crystal structure of 3-chloro-3-methyl--2,-6-di-phenyl-piperidin-4-one, CHClNO, (I), 3-chloro-3-methyl--2,-6-di--tolyl-piperidin-4-one, CHClNO, (II), and 3-chloro-3-methyl--2,-6-bis-(4-chloro-phen-yl)piperidin-4-one, CHClNO, (III), are described. In each structure, the piperidine ring adopts a chair conformation and dihedral angles between the mean planes of the phenyl rings are 58.4 (2), 73.5 (5) and 78.6 (2)° in (I), (II) and (III), respectively. In the crystals, mol-ecules are linked into (6) chains by weak N-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

摘要

描述了3-氯-3-甲基-2,6-二苯基哌啶-4-酮(CHClNO,(I))、3-氯-3-甲基-2,6-二对甲苯基哌啶-4-酮(CHClNO,(II))和3-氯-3-甲基-2,6-双(4-氯苯基)哌啶-4-酮(CHClNO,(III))的合成及晶体结构。在每个结构中,哌啶环呈椅式构象,(I)、(II)和(III)中苯环平均平面之间的二面角分别为58.4(2)、73.5(5)和78.6(2)°。在晶体中,分子通过弱N-H⋯O氢键连接成(6)链,并且还观察到C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/df8157f25531/e-73-00107-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/b190d5398548/e-73-00107-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/166ff729d3f7/e-73-00107-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/af9fc4c504fb/e-73-00107-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/dfefd0644ede/e-73-00107-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/678635c7237c/e-73-00107-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/df8157f25531/e-73-00107-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/b190d5398548/e-73-00107-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/166ff729d3f7/e-73-00107-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/af9fc4c504fb/e-73-00107-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/dfefd0644ede/e-73-00107-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/678635c7237c/e-73-00107-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5c2/5290544/df8157f25531/e-73-00107-fig6.jpg

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